N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O2 — CID 19789645

IUPACN-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-2-3-7-14-12(17)10-9-15-11-6-4-5-8-16(11)13(10)18/h4-6,8-9H,2-3,7H2,1H3,(H,14,17)
InChIKeyPQAJROHWTMYFFZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.22
Rot. Bonds4

About N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 19789645) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID19789645
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-2-3-7-14-12(17)10-9-15-11-6-4-5-8-16(11)13(10)18/h4-6,8-9H,2-3,7H2,1H3,(H,14,17)
InChIKeyPQAJROHWTMYFFZ-UHFFFAOYSA-N
XLogP1.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 19789645) is N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PQAJROHWTMYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-7-14-12(17)10-9-15-11-6-4-5-8-16(11)13(10)18/h4-6,8-9H,2-3,7H2,1H3,(H,14,17).
What are the key properties of N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19789645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).